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PUBCHEM-ZINC03146752

 MMsINC code: MMs03001199
Type: Neutral
Formula: C26H23N3O3
SMILES:   Oc1ccc(cc1)CC(NC(=O)C)C(=O)N\N=C\c1c2c(cc3c1cccc3)cccc2
InChI:   InChI=1/C26H23N3O3/c1-17(30)28-25(14-18-10-12-21(31)13-11-18)26(32)29-27-16-24-22-8-4-2-6-19(22)15-20-7-3-5-9-23(20)24/h2-13,15-16,25,31H,14H2,1H3,(H,28,30)(H,29,32)/b27-16+/t25-/m1/s1

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Potential Energy
Epot(MMFF94)=169.674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.488 g/mol  logS: -7.17336  SlogP: 3.89607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0146032  Sterimol/B1: 2.62231  Sterimol/B2: 2.63037  Sterimol/B3: 3.43648
  Sterimol/B4: 9.74215  Sterimol/L: 19.548 
 
 Surface and Volume Properties
  Accessible surface: 717.942  Positive charged surface: 401.855  Negative charged surface: 293.244  Volume: 410.375
  Hydrophobic surface: 575.591  Hydrophilic surface: 142.351
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.